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Seneciphylline N-Oxide

CAT: 1410-M21776-01Size: 1 EachDry Ice: NoHazardous: No
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Description
Seneciphylline N-Oxide is a dehydrogenation product of Senecionine N-oxide.
CAS Number
38710-26-8
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
349.38
Molecular Formula
C₁₈H₂₃NO₆
Notes
Research use only, not for human use.
Receptor
——

Chemical Information

seneciphylline N-oxide

Seneciphylline N-oxide is a tertiary amine oxide, a tertiary alcohol, an organic heterotricyclic compound, a pyrrolizine alkaloid, a macrocyclic lactone and an olefinic compound. It has a role as a Jacobaea metabolite. It is functionally related to a seneciphylline.

CAS Number38710-26-8
PubChem CID13258912
IUPAC Name(1R,4Z,7R,17R)-4-ethylidene-7-hydroxy-7-methyl-6-methylidene-14-oxido-2,9-dioxa-14-azoniatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione
Molecular FormulaC18H23NO6
Molecular Weight349.4
XLogP0.1
Topological Polar Surface Area90.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count0
Heavy Atom Count25
Formal Charge0
Complexity696
SMILES
C/C=C\1/CC(=C)[C@@](C(=O)OCC2=CC[N+]3([C@H]2[C@@H](CC3)OC1=O)[O-])(C)O
InChI
InChI=1S/C18H23NO6/c1-4-12-9-11(2)18(3,22)17(21)24-10-13-5-7-19(23)8-6-14(15(13)19)25-16(12)20/h4-5,14-15,22H,2,6-10H2,1,3H3/b12-4-/t14-,15-,18-,19?/m1/s1
InChIKey
COHUFMBRBUPZPA-TUSLHEEYSA-N
Chemical Structure
2D Structure
2D structure of seneciphylline N-oxide
CAS: 38710-26-8
CID: 13258912
Formula: C18H23NO6
MW: 349.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight349.4
XLogP30.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count0
Exact Mass349.15253745
Monoisotopic Mass349.15253745
Topological Polar Surface Area90.9 Ų
Heavy Atom Count25
Formal Charge0
Complexity696
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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